CID 67477

[1,2,4]triazolo[4,3-a]quinoline

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC=C2C(=C1)C=CC3=NN=CN32
InChI
InChI=1S/C10H7N3/c1-2-4-9-8(3-1)5-6-10-12-11-7-13(9)10/h1-7H
InChIKey
PIRYKGLQLCKQPG-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

103
Patents

169.064 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 131.8
[M+Na]+ 192.05322 143.8
[M-H]- 168.05672 134.0
[M+NH4]+ 187.09782 152.3
[M+K]+ 208.02716 139.4
[M+H-H2O]+ 152.06126 123.7
[M+HCOO]- 214.06220 154.1
[M+CH3COO]- 228.07785 146.0
[M+Na-2H]- 190.03867 143.1
[M]+ 169.06345 133.8
[M]- 169.06455 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe